2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine

C17H22N4 — CID 171335725

IUPAC2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4/c1-15-18-9-7-17(19-15)21-13-11-20(12-14-21)10-8-16-5-3-2-4-6-16/h2-7,9H,8,10-14H2,1H3
InChIKeyOOQGAERKCYEDLM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine

2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (PubChem CID 171335725) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
PubChem CID171335725
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4/c1-15-18-9-7-17(19-15)21-13-11-20(12-14-21)10-8-16-5-3-2-4-6-16/h2-7,9H,8,10-14H2,1H3
InChIKeyOOQGAERKCYEDLM-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine
CID 71321562
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
CID 91779694
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (CID 171335725) is 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is Cc1nccc(N2CCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is OOQGAERKCYEDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-15-18-9-7-17(19-15)21-13-11-20(12-14-21)10-8-16-5-3-2-4-6-16/h2-7,9H,8,10-14H2,1H3.
What are the key properties of 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171335725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).